Molecule

ID:15924

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃
Molecular Mass
173.21444
Exact Mass
173.09529737
Charge
0
InChI
InChI=1S/C10H11N3/c1-11-7-8-2-3-9-10(6-8)13-5-4-12-9/h2-6,11H,7H2,1H3
InChIKey
QRZKMXOFPHWLCH-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccc2c(c1)nccn2
Isomeric Smiles
c1cnc2c(n1)cc(cc2)CNC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.3268683
LogD (pH = 7.4)
-1.2973605
Log P
0.8574272
Molar Refractivity
50.6984
Polarizability
21.322721
Polar Surface Area
37.81
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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